SCHEMBL4450051

SCHEMBL4450051

Cc1ccc(OCC2(C)CO2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
L3MBTL1 Q9Y468 5/20 0.43
HPGD P15428 5/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16273359 0.82 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1HPGDKMT2AMEN1
SCHEMBL2729957 0.80 PPARD (0.38) HPGDLMNAALDH1A1MRGPRX4
SCHEMBL4451541 0.79 ALDH1A1 (0.50) SMN1; SMN2L3MBTL1HPGDKMT2AMEN1
SCHEMBL4556191 0.79 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1HPGDKMT2AMEN1
SCHEMBL4461068 0.77 DRD2 (0.40) L3MBTL1HPGDTSHRKDM4ELMNA
SCHEMBL2730279 0.75 MCHR1 (0.38) RAB9AMRGPRX4
SCHEMBL2729535 0.75 PPARD (0.33)
SCHEMBL2729798 0.75 PPARD (0.32)
SCHEMBL2730181 0.74 PPARD (0.32)
SCHEMBL19612210 0.74 IDO1 (0.36) SMN1; SMN2HPGDKMT2AMEN1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601448-B2 Polymer electrolyte membrane and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-13 US disclosed
US-20030044669-A1 Polymer electrolyte membrane and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED 2003-03-06 US disclosed
EP-1274147-A2 Polymer electrolyte membrane and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-01-08 EP disclosed